SCHEMBL508791

SCHEMBL508791

CCc1nn(CCOCOCCOC)c(CC)c1Oc1cc(C#N)cc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.34
HDAC4 P56524 6/20 0.34
HDAC1 Q13547 6/20 0.33
HDAC8 Q9BY41 5/20 0.33
KCNH2 Q12809 3/20 0.33
NR1I2 O75469 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PGR P06401 1/20 0.33
HDAC5 Q9UQL6 1/20 0.32
S1PR1 P21453 1/20 0.31
S1PR5 Q9H228 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10251075 0.90 KCNH2 (0.36) KCNH2PGRS1PR1
SCHEMBL1347465 0.88 HDAC6 (0.36) HDAC6HDAC4HDAC1HDAC8KCNH2
SCHEMBL508602 0.82 KCNH2 (0.45) KCNH2PGR
SCHEMBL5233706 0.78 KCNH2 (0.38) KCNH2PGRS1PR1
SCHEMBL508505 0.78 PGR (0.40) KCNH2PGR
SCHEMBL14540440 0.78 PGR (0.38) KCNH2PGR
SCHEMBL1347466 0.77 KCNH2 (0.45) KCNH2PGR
SCHEMBL509271 0.76 PGR (0.39) KCNH2PGR
SCHEMBL509270 0.76 PGR (0.39) KCNH2PGR
SCHEMBL5226440 0.76 KCNH2 (0.38) KCNH2PGRS1PR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 HDAC6 3641/4885HDAC4 2536/4885HDAC1 1018/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 HDAC6 3723/4885HDAC4 2677/4885HDAC1 1196/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD HDAC6 3717/4885HDAC4 2996/4885HDAC1 1786/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 HDAC6 3862/4885HDAC4 3075/4885HDAC1 1155/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.